Benzoic acid,4-(2-hydroxycyclohexyl)- 5445-91-0 CAS NO.5445-91-0

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

Payment Terms:: L/C,T/T,

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Product Details

Keywords

Benzoic acid,4-(2-hydroxycyclohexyl)-
5445-91-0
98%

Quick Details

ProName: Benzoic acid,4-(2-hydroxycyclohexyl)- ...
CasNo: 5445-91-0
Molecular Formula: C13H16 O3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

Superiority

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1.noble metal catalysts (pt.pd...)

2.organic phosphine ligands (tert-butyl-phosphine.cyclohexyl-phosphine...)

3.oled intermediates (fluorene,carbazole,boric acid...)

4.customs synthesis

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Details

【name】
benzoic acid,4-(2-hydroxycyclohexyl)-
【iupac name】
4-(2-hydroxycyclohexyl)benzoic acid
【cas registry number】
5445-91-0
【synonyms】
nsc 17149
【molecular formula】
c13h16 o3 (products with the same molecular formula)
【molecular weight】
0
【inchi】
inchi=1/c13h16o3/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h5-8,11-12,14h,1-4h2,(h,15,16)
【canonical smiles】
c1ccc(c(c1)c2=cc=c(c=c2)c(=o)o)o
【mol file】
5445-91-0.mol
chemical and physical properties
【density】
1.222g/cm3
【boiling point】
405.6°cat760mmhg
【refractive index】
1.588
【flash point】
213.3°c
【computed properties】
molecular weight:220.26434 [g/mol]
molecular formula:c13h16o3
xlogp3-aa:2.3
h-bond donor:2
h-bond acceptor:3
rotatable bond count:2
tautomer count:3
exact mass:220.109944
monoisotopic mass:220.109944
topological polar surface area:57.5
heavy atom count:16
formal charge:0
complexity:244
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:2
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:3
feature 3d donor count:1
feature 3d anion count:1
feature 3d ring count:2
effective rotor count:3.2
conformer sampling rmsd:0.6
cid conformer count:21